In-Silico Structure Database (LMISSD)

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LMISSD: Lipid Classification search results

Glycerophospholipids [GP](W)  --> Oxidized glycerophospholipids [GP20] --> Oxidized glycerophosphocholines [GP2001]

LM_ID Common Name Systematic Name Formula Mass
LMISGP20019BR6 PC(18:2(9Z,11Z)/20:4(6E,8Z,11Z,14Z)(5OH[S])) 1-(9Z,11Z-octadecadienoyl)-2-(5S-HETE)-sn-glycero-3-phosphocholine C46H80NO9P 821.5571
LMISGP20019BR7 PC(18:2(9Z,11Z)/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH)) 1-(9Z,11Z-octadecadienoyl)-2-(8-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BR8 PC(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH)) 1-(9Z,11Z-octadecadienoyl)-2-(14-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BR9 PC(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,13Z,15E,19Z)(17OH)) 1-(9Z,11Z-octadecadienoyl)-2-(17-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSA PC(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,18E)(20OH)) 1-(9Z,11Z-octadecadienoyl)-2-(20-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSB PC(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,13Z,17E,19Z)(16OH)) 1-(9Z,11Z-octadecadienoyl)-2-(16-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSC PC(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,14E,16Z,19Z)(13OH)) 1-(9Z,11Z-octadecadienoyl)-2-(13-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSD PC(18:2(9Z,11Z)/22:6(4Z,7Z,11E,13Z,16Z,19Z)(10OH)) 1-(9Z,11Z-octadecadienoyl)-2-(10-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSE PC(18:2(9Z,11Z)/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH)) 1-(9Z,11Z-octadecadienoyl)-2-(11-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSF PC(18:2(9Z,11Z)/22:6(4Z,8E,10Z,13Z,16Z,19Z)(7OH)) 1-(9Z,11Z-octadecadienoyl)-2-(7-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BSG PC(18:2(9Z,11Z)/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH)) 1-(9Z,11Z-octadecadienoyl)-2-(4-HDoHE)-sn-glycero-3-phosphocholine C48H80NO9P 845.5571
LMISGP20019BTM PC(18:2(9Z,12Z)/2:0) 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine C28H52NO8P 561.3431
LMISGP20019BUF PC(18:2(9Z,12Z)/4:0) 1-(9Z,12Z-octadecadienoyl)-2-butyryl-sn-glycero-3-phosphocholine C30H56NO8P 589.3744
LMISGP20019BUG PC(18:2(9Z,12Z)/4:1(3E)) 1-(9Z,12Z-octadecadienoyl)-2-3E-butenoyl-sn-glycero-3-phosphocholine C30H54NO8P 587.3587
LMISGP20019BUD PC(18:2(9Z,12Z)/4:0(4Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4-oxobutyryl)-sn-glycero-3-phosphocholine C30H54NO9P 603.3536
LMISGP20019BUE PC(18:2(9Z,12Z)/4:0(4OH,4Ke)) 1-(9Z,12Z-octadecadienoyl)-2-succinyl-sn-glycero-3-phosphocholine C30H54NO10P 619.3485
LMISGP20019BUH PC(18:2(9Z,12Z)/5:0(5Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5-oxo-valeroyl)-sn-glycero-3-phosphocholine C31H56NO9P 617.3693
LMISGP20019BUI PC(18:2(9Z,12Z)/5:0(5OH,5Ke)) 1-(9Z,12Z-octadecadienoyl)-2-glutaroyl-sn-glycero-3-phosphocholine C31H56NO10P 633.3642
LMISGP20019BUJ PC(18:2(9Z,12Z)/6:1(4E)(3Ke,6OH,6Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphocholine C32H54NO11P 659.3435
LMISGP20019BUK PC(18:2(9Z,12Z)/6:1(4E)(6Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphocholine C32H56NO9P 629.3693
LMISGP20019BUL PC(18:2(9Z,12Z)/7:1(5E)(4Ke,7Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphocholine C33H56NO10P 657.3642
LMISGP20019BUM PC(18:2(9Z,12Z)/7:1(5E)(4Ke,7OH,7Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphocholine C33H56NO11P 673.3591
LMISGP20019BUN PC(18:2(9Z,12Z)/7:1(5E)(4OH,7Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphocholine C33H58NO10P 659.3798
LMISGP20019BUO PC(18:2(9Z,12Z)/7:1(5E)(4OH,7OH,7Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphocholine C33H58NO11P 675.3748
LMISGP20019BUP PC(18:2(9Z,12Z)/8:0(8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphocholine C34H62NO9P 659.4162
LMISGP20019BUQ PC(18:2(9Z,12Z)/8:0(8OH,8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine C34H62NO10P 675.4111
LMISGP20019BUR PC(18:2(9Z,12Z)/8:1(6E)(5Ke,8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphocholine C34H58NO10P 671.3798
LMISGP20019BUS PC(18:2(9Z,12Z)/8:1(6E)(5Ke,8OH,8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine C34H58NO11P 687.3748
LMISGP20019BUT PC(18:2(9Z,12Z)/8:1(6E)(5OH,8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphocholine C34H60NO10P 673.3955
LMISGP20019BUU PC(18:2(9Z,12Z)/8:1(6E)(5OH,8OH,8Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine C34H60NO11P 689.3904
LMISGP20019BUV PC(18:2(9Z,12Z)/9:0(9Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphocholine C35H64NO9P 673.4319
LMISGP20019BUW PC(18:2(9Z,12Z)/9:0(9OH,9Ke)) 1-(9Z,12Z-octadecadienoyl)-2-azeloyl-sn-glycero-3-phosphocholine C35H64NO10P 689.4268
LMISGP20019BUX PC(18:2(9Z,12Z)/9:2(5E,7E)(4Ke,9Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphocholine C35H58NO10P 683.3798
LMISGP20019BS2 PC(18:2(9Z,12Z)/11:1(9E)(11Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphocholine C37H66NO9P 699.4475
LMISGP20019BS3 PC(18:2(9Z,12Z)/11:2(6E,8E)(5OH,10OH,11Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphocholine C37H64NO11P 729.4217
LMISGP20019BS4 PC(18:2(9Z,12Z)/12:0(9Ke,12Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9,12-dioxodecanoyl)-sn-glycero-3-phosphocholine C38H68NO10P 729.4581
LMISGP20019BS5 PC(18:2(9Z,12Z)/12:1(10E)(9Ke,12OH,12Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9-oxo-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphocholine C38H66NO11P 743.4374
LMISGP20019BS6 PC(18:2(9Z,12Z)/12:1(10E)(9OH,12Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9-hydroxy-12-oxo-10E-dodecenoyl)-sn-glycero-3-phosphocholine C38H68NO10P 729.4581
LMISGP20019BS7 PC(18:2(9Z,12Z)/12:1(10E)(9OH,12OH,12Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphocholine C38H68NO11P 745.4530
LMISGP20019BS8 PC(18:2(9Z,12Z)/13:2(9E,11E)(13Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphocholine C39H68NO9P 725.4632
LMISGP20019BS9 PC(18:2(9Z,12Z)/13:2(9E,11E)(8Ke,13Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(8,13-dioxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphocholine C39H66NO10P 739.4424
LMISGP20019BTA PC(18:2(9Z,12Z)/13:2(9E,11E)(8OH,13Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphocholine C39H68NO10P 741.4581
LMISGP20019BTB PC(18:2(9Z,12Z)/13:3(5Z,8E,11E)(10OH,13Ke)) 1-(9Z,12Z-octadecadienoyl)-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphocholine C39H66NO10P 739.4424
LMISGP20019BTC PC(18:2(9Z,12Z)/18:2(10E,12Z)(9OH[R])) 1-(9Z,12Z-octadecadienoyl)-2-(9R-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTD PC(18:2(9Z,12Z)/18:2(10E,12Z)(9OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(9S-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTE PC(18:2(9Z,12Z)/18:2(8E,12Z)(10OH[R])) 1-(9Z,12Z-octadecadienoyl)-2-(10R-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTF PC(18:2(9Z,12Z)/18:2(8E,12Z)(10OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(10S-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTG PC(18:2(9Z,12Z)/18:2(9Z,11E)(13OH[R])) 1-(9Z,12Z-octadecadienoyl)-2-(13R-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTH PC(18:2(9Z,12Z)/18:2(9Z,11E)(13OH[S])) 1-(9Z,12Z-octadecadienoyl)-2-(13S-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571
LMISGP20019BTI PC(18:2(9Z,12Z)/18:2(9Z,12Z)(8OH[R])) 1-(9Z,12Z-octadecadienoyl)-2-(8R-HODE)-sn-glycero-3-phosphocholine C44H80NO9P 797.5571